ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate

C23H28N2O4 — CID 92592890

IUPACethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C23H28N2O4/c1-3-28-22(27)23(9-11-25(12-10-23)21(26)19-13-16(19)2)15-18-14-20(24-29-18)17-7-5-4-6-8-17/h4-8,14,16,19H,3,9-13,15H2,1-2H3/t16-,19-/m1/s1
InChIKeySSJBCOCGAHALTC-VQIMIIECSA-N
MW396.49 g/mol
LogP3.71
Rot. Bonds6

About ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 92592890) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
PubChem CID92592890
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nameethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1
InChIInChI=1S/C23H28N2O4/c1-3-28-22(27)23(9-11-25(12-10-23)21(26)19-13-16(19)2)15-18-14-20(24-29-18)17-7-5-4-6-8-17/h4-8,14,16,19H,3,9-13,15H2,1-2H3/t16-,19-/m1/s1
InChIKeySSJBCOCGAHALTC-VQIMIIECSA-N
XLogP3.71
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[(1S,2S)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate
CID 92592889
ethyl (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylate
CID 92592791
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 95853639
ethyl 4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 95853634
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
ethyl 1-[(3-hydroxyphenyl)methyl]-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853617
ethyl 1-[(2,3-dimethylimidazol-4-yl)methyl]-4-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylate
CID 95853614
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592803
ethyl (3R)-1-(cyclopentanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853755
1-[3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110129866
ethyl (3S)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592807
ethyl 3-[[3-(3-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxylate
CID 110234241

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate (CID 92592890) is ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1.
What is the InChIKey of ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is SSJBCOCGAHALTC-VQIMIIECSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-22(27)23(9-11-25(12-10-23)21(26)19-13-16(19)2)15-18-14-20(24-29-18)17-7-5-4-6-8-17/h4-8,14,16,19H,3,9-13,15H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1R,2R)-2-methylcyclopropanecarbonyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 92592890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).